1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine

C14H23NO2S — CID 62473098

IUPAC1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1C)CS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-4-9-15-14(11-18(3,16)17)10-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyNOXCDZJWZOQHSB-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.95
Rot. Bonds7

About 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine

1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine (PubChem CID 62473098) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
PubChem CID62473098
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1C)CS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-4-9-15-14(11-18(3,16)17)10-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyNOXCDZJWZOQHSB-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(2,5-dimethylphenyl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 115820693
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine (CID 62473098) is 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1C)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The InChIKey is NOXCDZJWZOQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-9-15-14(11-18(3,16)17)10-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 62473098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).